PPIRE11238

Target Protein Information
Protein_Name Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase
Protein_Sequence MIDKSAFVHPTAIVEEGASIGANAHIGPFCIVGPHVEIGEGTVLKSHVVVNGHTKIGRDNEIYQFASIGEVNQDLKYAGEPTRVEIGDRNRIRESVTIHRGTVQGGGLTKVGSDNLLMINAHIAHDCTVGNRCILANNATLAGHVSVDDFAIIGGMTAVHQFCIIGAHVMVGGCSGVAQDVPPYVIAQGNHATPFGVNIEGLKRRGFSREAITAIRNAYKLIYRSGKTLDEVKPEIAELAETYPEVKAFTDFFARSTRGLIR
Organism_Source Escherichia coli (strain K12)
Functional_Classification acyltransferases
Cellular_Localization Cytoplasm
Gene_Names lpxA
UniProt_ID P0A722
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name TAMRA-peptide
Peptide_Sequence WMLDPIAGKWSRK
Peptide_Length 13
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O
Chemical_Modification K13=TAMRA
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1587.90
Aliphatic_Index 67.69231
Aromaticity 0.15385
Average_Rotatable_Bonds 3.84615
Charge_at_pH_7 1.99784
Isoelectric_Point 10.78901
Number_of_Hydrogen_Bond_Acceptors 20
Number_of_Hydrogen_Bond_Donors 22
Topological_Polar_Surface_Area 606.78000
X_logP_energy -2.34503
Interaction Information
Affinity KD=147 nM
Affinity_Assay Fluorescence Polarization
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title A high-throughput-compatible fluorescence anisotropy-based assay for competitive inhibitors of Escherichia coli UDP-N-acetylglucosamine acyltransferase (LpxA).
Release_Year 2012
PMID 23015018
DOI 10.1177/1087057112462062